Chemical Components in the PDB

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L6Y : Summary

Code

L6Y

One-letter code

X

Molecule name

2-oxidanyl-6-(phenylcarbonyl)benzo[de]isoquinoline-1,3-dione

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.9.2 2-oxidanyl-6-(phenylcarbonyl)benzo[de]isoquinoline-1,3-dione

Formula

C19 H11 N O4

Formal charge

0

Molecular weight

317.295 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)c4ccccc4
SMILES OpenEye OEToolkits 1.9.2 c1ccc(cc1)C(=O)c2ccc3c4c2cccc4C(=O)N(C3=O)O
Canonical SMILES CACTVS 3.385 ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)c4ccccc4
Canonical SMILES OpenEye OEToolkits 1.9.2 c1ccc(cc1)C(=O)c2ccc3c4c2cccc4C(=O)N(C3=O)O

IUPAC InChI

InChI=1S/C19H11NO4/c21-17(11-5-2-1-3-6-11)13-9-10-15-16-12(13)7-4-8-14(16)18(22)20(24)19(15)23/h1-10,24H

IUPAC InChI key

AFGMHSZWGJYWFH-UHFFFAOYSA-N
L6Y

wwPDB Information

Atom count

35 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-09-08

Last modified at

2016-01-15

Status

Released

Obsoleted

Not Assigned